SCHEMBL7579280

SCHEMBL7579280

O=C1C=C(c2ccc(Cl)c(Cl)c2)C(=O)N1Nc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.72
NPSR1 Q6W5P4 5/20 0.72
ALDH1A1 P00352 4/20 0.72
CACNA1B Q00975 3/20 0.72
APBA1 Q02410 3/20 0.72
LMNA P02545 3/20 0.72
HPGD P15428 2/20 0.72
ALOX12 P18054 2/20 0.72
HCRTR1 O43613 1/20 0.72
S1PR4 O95977 1/20 0.72
HSP90AA1 P07900 1/20 0.72
S1PR1 P21453 1/20 0.72
GAA P10253 2/20 0.68
CCR6 P51684 2/20 0.68
HTT P42858 2/20 0.57
TDP1 Q9NUW8 1/20 0.54
CYP1A2 P05177 2/20 0.41
ALKBH5 Q6P6C2 1/20 0.40
KMO O15229 1/20 0.40
CNR1 P21554 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7582505 0.84 MAPT (1.00) MAPTNPSR1ALDH1A1CACNA1BAPBA1
SCHEMBL7580778 0.83 MAPT (0.73) MAPTNPSR1ALDH1A1CACNA1BAPBA1
SCHEMBL7582583 0.82 MAPT (1.00) MAPTNPSR1ALDH1A1CACNA1BAPBA1
SCHEMBL7580755 0.81 MAPT (0.84) MAPTNPSR1ALDH1A1CACNA1BAPBA1
SCHEMBL7584263 0.81 MAPT (0.69) MAPTNPSR1ALDH1A1CACNA1BAPBA1
SCHEMBL7580868 0.78 MAPT (0.89) MAPTNPSR1ALDH1A1CACNA1BAPBA1
SCHEMBL7582161 0.76 MAPT (0.86) MAPTNPSR1ALDH1A1CACNA1BAPBA1
SCHEMBL1471569 0.75 RAD51 (0.44) MAPTNPSR1ALDH1A1CACNA1BAPBA1
SCHEMBL7579326 0.75 MAPT (1.00) MAPTNPSR1ALDH1A1CACNA1BAPBA1
SCHEMBL7580750 0.72 MAPT (1.00) MAPTNPSR1ALDH1A1CACNA1BAPBA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6476061-B1 Fungicides containing pyrrolidones as their active agents BASF AKTIENGESELLSCHAFT (DE) 2002-11-05 US claimed
EP-1133229-B1 FUNGICIDES CONTAINING PYRROLIDONES AS THEIR ACTIVE AGENTS BASF AG (DE) 2002-10-09 EP claimed
US-6476061-B1 Fungicides containing pyrrolidones as their active agents BASF AKTIENGESELLSCHAFT (DE) 2002-11-05 US disclosed
EP-1133229-B1 FUNGICIDES CONTAINING PYRROLIDONES AS THEIR ACTIVE AGENTS BASF AG (DE) 2002-10-09 EP disclosed